CID 455669

Schembl7298692

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1=CN2C(=CN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c12-10-11-14-3-5(15(11)2-1-13-10)9-8(18)7(17)6(4-16)19-9/h1-3,6-9,16-18H,4H2,(H2,12,13)/t6-,7-,8-,9+/m1/s1
InChIKey
YIVRKBAMRSMVOY-BGZDPUMWSA-N
Compound name
(2S,3R,4S,5R)-2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

266.1015 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.6
[M+Na]+ 289.09072 166.5
[M-H]- 265.09422 158.5
[M+NH4]+ 284.13532 170.4
[M+K]+ 305.06466 163.3
[M+H-H2O]+ 249.09876 149.7
[M+HCOO]- 311.09970 173.7
[M+CH3COO]- 325.11535 167.9
[M+Na-2H]- 287.07617 158.3
[M]+ 266.10095 156.6
[M]- 266.10205 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe